N-(2-methylbutan-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide

Systemtic Name: N-(2-methylbutan-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide Openeye Name: N-(1,1-dimethylpropyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzamide CAS Name: N-(2-methylbutan-2-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide IUPAC Name: N-(2-methylbutan-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzamide Traditional Name: N-tert-amyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzamide Formula: C19H19F3N2O3S MolecularWeight: 412.42597

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19F3N2O3S/c1-4-18(2,3)23-17(25)13-7-5-6-8-15(13)28-16-10-9-12(19(20,21)22)11-14(16)24(26)27/h5-11H,4H2,1-3H3,(H,23,25)